4XP3
Crystal structure of ERK2 in complex with an inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-12-07 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 1.542 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.600, 69.683, 59.819 |
Unit cell angles | 90.00, 108.91, 90.00 |
Refinement procedure
Resolution | 23.198 - 1.782 |
R-factor | 0.1503 |
Rwork | 0.149 |
R-free | 0.17890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qyw |
RMSD bond length | 0.009 |
RMSD bond angle | 1.021 |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.600 | 1.870 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.037 | 0.149 |
Number of reflections | 55297 | |
<I/σ(I)> | 9.1 | 4.6 |
Completeness [%] | 95.1 | 79.9 |
Redundancy | 2 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 26% PEG MME 2000, 0.1M MES pH 6.5, 0.1M ammonium sulfate, 0.02M beta-mercaptoethanol |